2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide

C26H25N3O3 — CID 3800061

IUPAC2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(NC(=O)c1cc3ccccc3oc1=O)CC(C)(C)C2
InChIInChI=1S/C26H25N3O3/c1-16-23-20(27-24(30)19-13-17-9-7-8-12-22(17)32-25(19)31)14-26(2,3)15-21(23)29(28-16)18-10-5-4-6-11-18/h4-13,20H,14-15H2,1-3H3,(H,27,30)
InChIKeyNGINISUUMKQLGA-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.73
Rot. Bonds3

About 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide

2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide (PubChem CID 3800061) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide
PubChem CID3800061
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(NC(=O)c1cc3ccccc3oc1=O)CC(C)(C)C2
InChIInChI=1S/C26H25N3O3/c1-16-23-20(27-24(30)19-13-17-9-7-8-12-22(17)32-25(19)31)14-26(2,3)15-21(23)29(28-16)18-10-5-4-6-11-18/h4-13,20H,14-15H2,1-3H3,(H,27,30)
InChIKeyNGINISUUMKQLGA-UHFFFAOYSA-N
XLogP4.73
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 4729379
3,5-dinitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 4729384
N-[(4S)-3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 939265
2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
CID 25387928
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 155979881
(4R)-4-(1-benzofuran-2-carbonyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136860080
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 82330981
2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide
CID 177381603
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 75435887
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide (CID 3800061) is 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide is Cc1nn(-c2ccccc2)c2c1C(NC(=O)c1cc3ccccc3oc1=O)CC(C)(C)C2.
What is the InChIKey of 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide?
The InChIKey is NGINISUUMKQLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-16-23-20(27-24(30)19-13-17-9-7-8-12-22(17)32-25(19)31)14-26(2,3)15-21(23)29(28-16)18-10-5-4-6-11-18/h4-13,20H,14-15H2,1-3H3,(H,27,30).
What are the key properties of 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide?
2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide is sourced from PubChem (CID 3800061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).